O1-[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] O4-methyl (2R)-2-(4-methylpentyl)-2-oxidanyl-butanedioate

Systemtic Name: O1-[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] O4-methyl (2R)-2-(4-methylpentyl)-2-oxidanyl-butanedioate Openeye Name: O1-[(1S)-2-methoxy-2-oxo-1-phenyl-ethyl] O4-methyl (2R)-2-hydroxy-2-isohexyl-butanedioate CAS Name: (2R)-2-hydroxy-2-(4-methylpentyl)butanedioic acid O1-[(1S)-2-methoxy-2-oxo-1-phenylethyl] ester O4-methyl ester IUPAC Name: 1-O-[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-O-methyl (2R)-2-hydroxy-2-(4-methylpentyl)butanedioate Traditional Name: (2R)-2-hydroxy-2-isohexyl-succinic acid O1-[(1S)-2-keto-2-methoxy-1-phenyl-ethyl] ester O4-methyl ester Formula: C20H28O7 MolecularWeight: 380.43212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CC(=O)OC)(C(=O)OC(C1=CC=CC=C1)C(=O)OC)O

Isomeric SMILES

CC(C)CCC[C@@](CC(=O)OC)(C(=O)O[C@@H](C1=CC=CC=C1)C(=O)OC)O

InChI

InChI=1S/C20H28O7/c1-14(2)9-8-12-20(24,13-16(21)25-3)19(23)27-17(18(22)26-4)15-10-6-5-7-11-15/h5-7,10-11,14,17,24H,8-9,12-13H2,1-4H3/t17-,20+/m0/s1